ChemSpider 2D Image | 4-{[(2-Amino-1,3-thiazol-4-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-1-(2,3,4,6-tetra-O-acetyl-alpha-D-allopyranosyl)-1H-pyrrole-2-carboxamide | C28H38N6O11S

4-{[(2-Amino-1,3-thiazol-4-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-1-(2,3,4,6-tetra-O-acetyl-α-D-allopyranosyl)-1H-pyrrole-2-carboxamide

  • Molecular FormulaC28H38N6O11S
  • Average mass666.700 Da
  • Monoisotopic mass666.231934 Da
  • ChemSpider ID9631432

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrole-2-carboxamide, 4-[[(2-amino-4-thiazolyl)carbonyl]amino]-N-[3-(dimethylamino)propyl]-1-(2,3,4,6-tetra-O-acetyl-α-D-allopyranosyl)- [ACD/Index Name]
4-{[(2-Amino-1,3-thiazol-4-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-1-(2,3,4,6-tetra-O-acetyl-α-D-allopyranosyl)-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-{[(2-Amino-1,3-thiazol-4-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-1-(2,3,4,6-tetra-O-acetyl-α-D-allopyranosyl)-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-{[(2-Amino-1,3-thiazol-4-yl)carbonyl]amino}-N-[3-(diméthylamino)propyl]-1-(2,3,4,6-tétra-O-acétyl-α-D-allopyranosyl)-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 744.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.8±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 161.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 454.5±7.0 cm3

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